tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate

C19H29NO3 — CID 103724645

IUPACtert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
SMILESCC(C(O)c1ccccc1)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO3/c1-14(17(21)15-10-6-5-7-11-15)16-12-8-9-13-20(16)18(22)23-19(2,3)4/h5-7,10-11,14,16-17,21H,8-9,12-13H2,1-4H3
InChIKeyGNTMKDMTOGIUJV-UHFFFAOYSA-N
MW319.44 g/mol
LogP4.15
Rot. Bonds3

About tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate

tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate (PubChem CID 103724645) has the molecular formula C19H29NO3 and a molecular weight of 319.44 g/mol. Its IUPAC name is tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
PubChem CID103724645
Molecular FormulaC19H29NO3
Molecular Weight319.44 g/mol
Exact Mass319.21
IUPAC Nametert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate
SMILESCC(C(O)c1ccccc1)C1CCCCN1C(=O)OC(C)(C)C
InChIInChI=1S/C19H29NO3/c1-14(17(21)15-10-6-5-7-11-15)16-12-8-9-13-20(16)18(22)23-19(2,3)4/h5-7,10-11,14,16-17,21H,8-9,12-13H2,1-4H3
InChIKeyGNTMKDMTOGIUJV-UHFFFAOYSA-N
XLogP4.15
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.44
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]-2-phenylacetic acid
CID 58913468
tert-butyl 2-[hydroxy(phenyl)methyl]azepane-1-carboxylate
CID 21106393
tert-butyl (2S)-2-[(1S)-2-methoxy-2-oxo-1-phenylethyl]piperidine-1-carboxylate
CID 11067588
tert-butyl (2S)-2-[(S)-amino(phenyl)methyl]pyrrolidine-1-carboxylate
CID 95479256
tert-butyl 2-[(1R)-1-hydroxyethyl]piperidine-1-carboxylate
CID 130691829
tert-butyl (2S)-2-[(1S)-1-hydroxyethyl]piperidine-1-carboxylate
CID 94855628
2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]propanoic acid
CID 23091770
(2S)-2-(4-methylphenyl)-2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-2-yl]acetic acid
CID 169028130
tert-butyl (2R)-2-[(1S)-1-hydroxy-3-[[(1R,2R)-1-hydroxy-1-phenylpropan-2-yl]-methylamino]-3-oxopropyl]pyrrolidine-1-carboxylate
CID 51031819
tert-butyl (2S)-2-[(1R,2R)-3-[[(1S,2R)-1-hydroxy-1-phenylpropan-2-yl]amino]-1-methoxy-2-methyl-3-oxopropyl]pyrrolidine-1-carboxylate
CID 20777964
tert-butyl 2-(1-phenylprop-2-enyl)pyrrolidine-1-carboxylate
CID 15320734
tert-butyl (2R)-2-[(2S)-2-hydroxy-2-phenylethyl]piperidine-1-carboxylate
CID 11197513

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate?
The IUPAC name of tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate (CID 103724645) is tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate.
What is the SMILES notation for tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate?
The canonical SMILES for tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate is CC(C(O)c1ccccc1)C1CCCCN1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate?
The InChIKey is GNTMKDMTOGIUJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NO3/c1-14(17(21)15-10-6-5-7-11-15)16-12-8-9-13-20(16)18(22)23-19(2,3)4/h5-7,10-11,14,16-17,21H,8-9,12-13H2,1-4H3.
What are the key properties of tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate?
tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate has a molecular weight of 319.44 g/mol, XLogP of 4.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(1-hydroxy-1-phenylpropan-2-yl)piperidine-1-carboxylate is sourced from PubChem (CID 103724645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).